SMILES:
Cc1c(C#N)cccc1-n1ncc2c(OC(COCCO)C(=O)Nc3ccc(C#N)cn3)ncnc21Molecular Processing
Molecular formula
C24H20N8O4
Molecular weight
484.48
Exact mass
484.1608
XLogP
1.66
TPSA
171.86
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
36
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.208
Molar refractivity
126.01
Supplementary Information
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